⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10013268 | 0.76 | — | — | |
| SCHEMBL18808290 | 0.69 | — | — | |
| SCHEMBL22096308 | 0.63 | — | — | |
| SCHEMBL14536335 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL13060374 | 0.61 | — | — | |
| SCHEMBL22315389 | 0.59 | — | — | |
| SCHEMBL13979603 | 0.58 | MAOB (0.52) | — | |
| SCHEMBL21018811 | 0.58 | — | — | |
| SCHEMBL18696219 | 0.57 | — | — | |
| SCHEMBL16296250 | 0.57 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014117920-A1 | SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS | MERCK PATENT GMBH (DE) | 2014-08-07 | — | — | WO | disclosed |
| EP-2014285-B1 | NPYY5 antagonists | SHIONOGI & CO (JP) | 2010-05-05 | — | — | EP | disclosed |
| EP-1249233-B9 | NPYY5 ANTAGONISTS | SHIONOGI & CO (JP) | 2009-08-05 | — | — | EP | disclosed |
| EP-2014285-A1 | NPYY5 antagonists | Shionogi&Co., Ltd. (JP) | 2009-01-14 | — | — | EP | disclosed |
| EP-1249233-B1 | NPYY5 ANTAGONISTS | SHIONOGI & CO (JP) | 2008-08-20 | — | — | EP | disclosed |